[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] (E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] (E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-2-propenoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)acrylic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C19H25ClN4O3 MolecularWeight: 392.8798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C=CC(=O)OCC(=O)NC2(CCCC2)C#N)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)OCC(=O)NC2(CCCC2)C#N)Cl

InChI

InChI=1S/C19H25ClN4O3/c1-3-4-11-24-18(20)15(14(2)23-24)7-8-17(26)27-12-16(25)22-19(13-21)9-5-6-10-19/h7-8H,3-6,9-12H2,1-2H3,(H,22,25)/b8-7+